Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL362914 | 0.98 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2D6PKMCA1 | |
| Hydrochloric Acid SCHEMBL1173192 | 0.98 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2D6PKMCA1 | |
| SCHEMBL15123482 | 0.81 | KMT2A (0.45) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL18982762 | 0.81 | KMT2A (0.45) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL826639 | 0.81 | KMT2A (0.45) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL1173430 | 0.81 | KMT2A (0.43) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL3407170 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL245200 | 0.81 | KMT2A (0.43) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL21133735 | 0.80 | CYP1A2 (0.61) | CYP1A2CYP2C19CYP2D6PKMKMT2A | |
| SCHEMBL3545509 | 0.80 | KMT2A (0.44) | CYP1A2CYP2C19CYP2D6CA1CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9828350-B2 | 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2017-11-28 | — | — | US | disclosed |
| EP-2580200-B1 | 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2016-09-14 | — | — | EP | disclosed |
| US-20160152581-A1 | 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (US) | 2016-06-02 | — | — | US | disclosed |
| EP-2097387-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-04 | — | — | EP | disclosed |
| US-8829036-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-09-09 | — | — | US | disclosed |
| US-8778980-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| CN-101715442-B | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME | 2014-03-26 | — | — | CN | disclosed |
| EP-2588466-B1 | 5-Amino-3,6-dihydro-1H-pyrazin-2-one derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2014-03-19 | — | — | EP | disclosed |
| EP-2588466-B1 | 5-Amino-3,6-dihydro-1H-pyrazin-2-one derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2014-03-19 | — | — | EP | disclosed |
| EP-2588466-A1 | 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | Janssen Pharmaceutica, N.V. (BE) | 2013-05-08 | — | — | EP | disclosed |
| US-20090258868-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2009-10-15 | — | — | US | disclosed |
| EP-2097387-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2009-09-09 | — | — | EP | disclosed |
| EP-1838304-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORP (US) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. | 2008-08-21 | — | — | US | disclosed |
| CN-101115482-A | Heterocyclic aspartyl protease inhibitors | SCHERING CORP (US) | 2008-01-30 | — | — | CN | disclosed |
| EP-1838304-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006065277-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2006-06-22 | — | — | WO | disclosed |
| US-20060111370-A1 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION | 2006-05-25 | — | — | US | disclosed |
| EP-0255178-A2 | Process for preparing hetero aryl and aryl alkanoic acids | Nobel Chemicals AB (SE) | 1988-02-03 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160152581-A1 | 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | BACE2, BACE1, PSEN2 | CYP1A2 2856/4885CYP2C19 4224/4885CYP2D6 3477/4885 |
| US-20060111370-A1 | Heterocyclic aspartyl protease inhibitors | CHRM1, CHRM2, PRSS1 | CYP1A2 2191/4885CYP2C19 1190/4885CYP2D6 959/4885 |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | CTSZ, CTSL, PRSS1 | CYP1A2 2869/4885CYP2C19 1645/4885CYP2D6 1688/4885 |
| US-20090258868-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | CYP1A2 2191/4885CYP2C19 1190/4885CYP2D6 959/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.